Molecule FYI-1001308

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A

Molecule Summary:

ID: FYI-1001308
SMILES: Cc1c2c(c(c(c(c2)N[S@](=O)(=CCCC2(CC)CC2)CC2CCCCC2)O)O)[nH]n1

Received at FYIcenter.com on: 2022-05-10

Molecule ID: FYI-1001308 Edit

Molecule Structure SMILES String: Cc1c2c(c(c(c(c2)N[S@](=O)(=CCCC2(CC)CC2)CC2CCCCC2)O)O)[nH]n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001308
FYIcenter.com

 30 33  0  0  1  0  0  0  0  0999 V2000
   13.1782    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7456    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7767    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5643    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5643    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9270    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3146    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5643    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9270    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9270    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7767    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7456    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5684    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  2  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 21  1  0  0  0  0
 27  6  1  0  0  0  0
 28  5  1  0  0  0  0
 29  4  1  0  0  0  0
 30 29  1  0  0  0  0
 30  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001308-3D
FYIcenter.com

 65 68  0  0  0  0  0  0  0  0999 V2000
    1.0682   -5.5503   -4.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4092   -5.4188   -5.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6755   -5.4698   -4.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5900   -5.6111   -5.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9268   -5.9116   -5.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3179   -6.0700   -3.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4612   -5.8146   -2.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1313   -5.4901   -3.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9751   -5.9057   -1.5760 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0997   -6.1135   -0.1906 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.8049   -5.4878   -0.2104 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7830   -5.3112    1.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6924   -4.1269    1.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9101   -4.5136    2.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8464   -5.5023    1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4244   -5.0839    0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7226   -6.3239    2.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7147   -7.7309    0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0969   -8.7255   -0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640   -9.1419   -1.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7314   -8.2861   -1.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7392   -6.5478    2.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6150   -6.2035    3.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
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  6 27  1  0  0  0  0
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  7  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
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 10 20  1  0  0  0  0
 10 11  2  6  0  0  0
 10  9  1  0  0  0  0
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 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 24  1  0  0  0  0
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 23 56  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 63  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 65  1  0  0  0  0
M  END
$$$$

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2022-05-15, 2640👍, 0💬